5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one

C9H4Cl2FNO2 — CID 68637756

IUPAC5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2c(Cl)ccc(Cl)c2c(F)c1O
InChIInChI=1S/C9H4Cl2FNO2/c10-3-1-2-4(11)7-5(3)6(12)8(14)9(15)13-7/h1-2,14H,(H,13,15)
InChIKeySFLFRJFGHLZXEE-UHFFFAOYSA-N
MW248.04 g/mol
LogP2.68
Rot. Bonds

About 5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one

5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one (PubChem CID 68637756) has the molecular formula C9H4Cl2FNO2 and a molecular weight of 248.04 g/mol. Its IUPAC name is 5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one
PubChem CID68637756
Molecular FormulaC9H4Cl2FNO2
Molecular Weight248.04 g/mol
Exact Mass246.96
IUPAC Name5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2c(Cl)ccc(Cl)c2c(F)c1O
InChIInChI=1S/C9H4Cl2FNO2/c10-3-1-2-4(11)7-5(3)6(12)8(14)9(15)13-7/h1-2,14H,(H,13,15)
InChIKeySFLFRJFGHLZXEE-UHFFFAOYSA-N
XLogP2.68
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one?
The IUPAC name of 5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one (CID 68637756) is 5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one is O=c1[nH]c2c(Cl)ccc(Cl)c2c(F)c1O.
What is the InChIKey of 5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one?
The InChIKey is SFLFRJFGHLZXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FNO2/c10-3-1-2-4(11)7-5(3)6(12)8(14)9(15)13-7/h1-2,14H,(H,13,15).
What are the key properties of 5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one?
5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one has a molecular weight of 248.04 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 68637756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).